UCSF

ZINC09860946

Substance Information

In ZINC since Heavy atoms Benign functionality
September 13th, 2007 35 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.88 1.18 -17.25 4 11 0 154 480.477 7
Lo Low (pH 4.5-6) 1.88 1.62 -67.19 5 11 1 156 481.485 7

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )